Information card for entry 7024937

Structure parameters

• Common name: bis(chloropyrazine)dichlorocopper(ii)
• Chemical name: bis(chloropyrazine)dichlorocopper(II)
• Formula: C8 H6 Cl4 Cu N4
• Calculated formula: C8 H6 Cl4 Cu N4
• SMILES: c1(c[n]([Cu]([n]2cc(ncc2)Cl)(Cl)Cl)ccn1)Cl
• Title of publication: Synthesis, structure, and magnetic properties of bis(monosubstituted-pyrazine)dihalocopper(II).
• Authors of publication: Herringer, Susan N.; Longendyke, Alyssa J.; Turnbull, Mark M.; Landee, Christopher P.; Wikaira, Jan L.; Jameson, Geoffrey B.; Telfer, Shane G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 11
• Pages of publication: 2785 - 2797
• a: 3.7176 ± 0.0002 Å
• b: 9.8367 ± 0.0015 Å
• c: 16.0242 ± 0.0017 Å
• α: 90°
• β: 94.381 ± 0.006°
• γ: 90°
• Cell volume: 584.28 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2832
• Residual factor for significantly intense reflections: 0.1109
• Weighted residual factors for significantly intense reflections: 0.2118
• Weighted residual factors for all reflections included in the refinement: 0.3055
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No